methyl N-[[2-(butanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(butanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(butanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1-oxobutylamino)-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(butanoylamino)-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-butyramido-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C19H21N3O3S2/c1-3-7-17(23)20-16-12-14(27-13-8-5-4-6-9-13)10-11-15(16)21-18(26)22-19(24)25-2/h4-6,8-12H,3,7H2,1-2H3,(H,20,23)(H2,21,22,24,26)