4-phenyl-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-phenyl-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-phenyl-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 4-phenyl-N-[[(1-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-phenyl-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-phenyl-N-[(1-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N6OS/c1-2-12-24-17(21-22-23-24)20-18(26)19-16(25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,19,20,21,23,25,26)