N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-methylbutanamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-methyl-butyramide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

InChI

InChI=1S/C16H23N3O2S/c1-12(2)10-15(21)18-16(22)19(9-8-14(17)20)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,17,20)(H,18,21,22)