N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[2,5-diethoxy-4-(m-tolylcarbamothioylamino)phenyl]-3-methyl-butanamide CAS Name: N-[2,5-diethoxy-4-[[(3-methylanilino)-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: N-[2,5-diethoxy-4-(m-tolylthiocarbamoylamino)phenyl]-3-methyl-butyramide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)CC(C)C)OCC)NC(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C23H31N3O3S/c1-6-28-20-14-19(26-23(30)24-17-10-8-9-16(5)12-17)21(29-7-2)13-18(20)25-22(27)11-15(3)4/h8-10,12-15H,6-7,11H2,1-5H3,(H,25,27)(H2,24,26,30)