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

Systemtic Name: methyl N-[[2-[2-(dimethylamino)ethanoylamino]-4-pentylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-pentylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(dimethylamino)-1-oxoethyl]amino]-4-(pentylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[[2-(dimethylamino)acetyl]amino]-4-pentylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(amylthio)-2-[[2-(dimethylamino)acetyl]amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=O)CN(C)C

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=O)CN(C)C

InChI

InChI=1S/C18H28N4O3S2/c1-5-6-7-10-27-13-8-9-14(20-17(26)21-18(24)25-4)15(11-13)19-16(23)12-22(2)3/h8-9,11H,5-7,10,12H2,1-4H3,(H,19,23)(H2,20,21,24,26)