methyl N-[[3-(3-methylbutanoylamino)-4-phenyl-thiophen-2-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[3-(3-methylbutanoylamino)-4-phenyl-thiophen-2-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[3-(3-methylbutanoylamino)-4-phenyl-2-thienyl]carbamothioyl]carbamate CAS Name: N-[[[3-[(3-methyl-1-oxobutyl)amino]-4-phenyl-2-thiophenyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[3-(3-methylbutanoylamino)-4-phenylthiophen-2-yl]carbamothioyl]carbamate Traditional Name: N-[[3-(isovalerylamino)-4-phenyl-2-thienyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C18H21N3O3S2/c1-11(2)9-14(22)19-15-13(12-7-5-4-6-8-12)10-26-16(15)20-17(25)21-18(23)24-3/h4-8,10-11H,9H2,1-3H3,(H,19,22)(H2,20,21,23,25)