methyl (NZ)-N-[[[2-(butanoylamino)-4-phenylsulfanyl-phenyl]amino]-methylsulfanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[[2-(butanoylamino)-4-phenylsulfanyl-phenyl]amino]-methylsulfanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[2-(butanoylamino)-4-phenylsulfanyl-anilino]-methylsulfanyl-methylene]carbamate CAS Name: (NZ)-N-[(methylthio)-[2-(1-oxobutylamino)-4-(phenylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[2-(butanoylamino)-4-phenylsulfanylanilino]-methylsulfanylmethylidene]carbamate Traditional Name: (NZ)-N-[[2-butyramido-4-(phenylthio)anilino]-(methylthio)methylene]carbamic acid methyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N/C(=N/C(=O)OC)/SC

InChI

InChI=1S/C20H23N3O3S2/c1-4-8-18(24)21-17-13-15(28-14-9-6-5-7-10-14)11-12-16(17)22-19(27-3)23-20(25)26-2/h5-7,9-13H,4,8H2,1-3H3,(H,21,24)(H,22,23,25)