1-methyl-3-[(E)-[(2E)-2-[(phenylmethyl)carbamothioylhydrazinylidene]ethylidene]amino]thiourea

Systemtic Name: 1-methyl-3-[(E)-[(2E)-2-[(phenylmethyl)carbamothioylhydrazinylidene]ethylidene]amino]thiourea Openeye Name: 1-benzyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazono)ethylidene]amino]thiourea CAS Name: 1-methyl-3-[(E)-[(2E)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]ethylidene]amino]thiourea IUPAC Name: 1-benzyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea Traditional Name: 1-benzyl-3-[(E)-[(2E)-2-(methylthiocarbamoylhydrazono)ethylidene]amino]thiourea Formula: C12H16N6S2 MolecularWeight: 308.42564

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC=NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CNC(=S)N/N=C/C=N/NC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C12H16N6S2/c1-13-11(19)17-15-7-8-16-18-12(20)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,13,17,19)(H2,14,18,20)/b15-7+,16-8+