methyl N-[[4-butyl-2-[(phenylmethylidene)amino]phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-butyl-2-[(phenylmethylidene)amino]phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(benzylideneamino)-4-butyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[4-butyl-2-[(phenylmethylene)amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(benzylideneamino)-4-butylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(benzalamino)-4-butyl-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N=CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NC(=O)OC)N=CC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O2S/c1-3-4-8-15-11-12-17(22-19(26)23-20(24)25-2)18(13-15)21-14-16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,23,24,26)