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

Systemtic Name: methyl N-[[4-butylsulfanyl-2-[2-(dimethylamino)ethanoylamino]phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-butylsulfanyl-2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(butylthio)-2-[[2-(dimethylamino)-1-oxoethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-butylsulfanyl-2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(butylthio)-2-[[2-(dimethylamino)acetyl]amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=O)CN(C)C

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=O)CN(C)C

InChI

InChI=1S/C17H26N4O3S2/c1-5-6-9-26-12-7-8-13(19-16(25)20-17(23)24-4)14(10-12)18-15(22)11-21(2)3/h7-8,10H,5-6,9,11H2,1-4H3,(H,18,22)(H2,19,20,23,25)