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

Systemtic Name: methyl N-[[2-[2-(dimethylamino)propanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[2-(dimethylamino)propanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(dimethylamino)-1-oxopropyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[2-(dimethylamino)propanoylamino]-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[2-(dimethylamino)propanoylamino]-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C20H24N4O3S2 MolecularWeight: 432.55956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S2/c1-13(24(2)3)18(25)21-17-12-15(29-14-8-6-5-7-9-14)10-11-16(17)22-19(28)23-20(26)27-4/h5-13H,1-4H3,(H,21,25)(H2,22,23,26,28)