methyl 4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4S2/c1-13-17(12-14-6-4-3-5-7-14)32-21(18(13)19(24)27)26-23(31)25-20(28)15-8-10-16(11-9-15)22(29)30-2/h3-11H,12H2,1-2H3,(H2,24,27)(H2,25,26,28,31)