methyl N-[[2-[2-(dimethylamino)ethanoylamino]-4-prop-2-enylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-[2-(dimethylamino)ethanoylamino]-4-prop-2-enylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-allylsulfanyl-2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(dimethylamino)-1-oxoethyl]amino]-4-(prop-2-enylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-prop-2-enylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(allylthio)-2-[[2-(dimethylamino)acetyl]amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)NC1=C(C=CC(=C1)SCC=C)NC(=S)NC(=O)OC

Isomeric SMILES

CN(C)CC(=O)NC1=C(C=CC(=C1)SCC=C)NC(=S)NC(=O)OC

InChI

InChI=1S/C16H22N4O3S2/c1-5-8-25-11-6-7-12(18-15(24)19-16(22)23-4)13(9-11)17-14(21)10-20(2)3/h5-7,9H,1,8,10H2,2-4H3,(H,17,21)(H2,18,19,22,24)