methyl N-[[2-[3-(dimethylamino)propanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-[3-(dimethylamino)propanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[3-(dimethylamino)propanoylamino]-4-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[3-(dimethylamino)-1-oxopropyl]amino]-4-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[3-(dimethylamino)propanoylamino]-4-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-[3-(dimethylamino)propanoylamino]-4-(phenylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S2/c1-24(2)12-11-18(25)21-17-13-15(29-14-7-5-4-6-8-14)9-10-16(17)22-19(28)23-20(26)27-3/h4-10,13H,11-12H2,1-3H3,(H,21,25)(H2,22,23,26,28)