N-[3-[2-methyl-2-[(phenylmethyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-methyl-2-[(phenylmethyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(benzylcarbamothioyl)-2-methyl-hydrazino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-methyl-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(benzylcarbamothioyl)-2-methylhydrazinyl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[N'-(benzylthiocarbamoyl)-N'-methyl-hydrazino]-3-keto-propyl]-4-nitro-benzamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S/c1-23(19(29)21-13-14-5-3-2-4-6-14)22-17(25)11-12-20-18(26)15-7-9-16(10-8-15)24(27)28/h2-10H,11-13H2,1H3,(H,20,26)(H,21,29)(H,22,25)