methyl 5-(dimethylcarbamoyl)-2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H29N5O3S2 MolecularWeight: 535.68086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C)C(=O)N(C)C

InChI

InChI=1S/C27H29N5O3S2/c1-15-21(26(34)35-6)24(37-23(15)25(33)31(4)5)29-27(36)28-22-16(2)30-32(17(22)3)14-19-12-9-11-18-10-7-8-13-20(18)19/h7-13H,14H2,1-6H3,(H2,28,29,36)