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

Systemtic Name: methyl N-[[2-(hexanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(hexanoylamino)-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1-oxohexylamino)-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(hexanoylamino)-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(caproylamino)-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-3-4-6-11-19(25)22-18-14-16(29-15-9-7-5-8-10-15)12-13-17(18)23-20(28)24-21(26)27-2/h5,7-10,12-14H,3-4,6,11H2,1-2H3,(H,22,25)(H2,23,24,26,28)