N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-methyl-propanamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-2-methyl-propanamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-methylpropanamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-2-methyl-propionamide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-11(2)14(20)17-15(21)18(9-8-13(16)19)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,19)(H,17,20,21)