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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C16H22N6OS/c1-4-5-10-22-20-15(19-21-22)18-16(24)17-14(23)13-8-6-12(7-9-13)11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,20,23,24)