N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-4-methyl-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-4-methylbenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-4-methyl-benzamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O2S/c1-14-7-9-16(10-8-14)18(24)21-19(25)22(12-11-17(20)23)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,20,23)(H,21,24,25)