N-[(S)-benzotriazol-1-yl(cyclohexyl)methyl]benzenecarbothioamide

Systemtic Name: N-[(S)-benzotriazol-1-yl(cyclohexyl)methyl]benzenecarbothioamide Openeye Name: N-[(S)-benzotriazol-1-yl(cyclohexyl)methyl]benzenecarbothioamide CAS Name: N-[(S)-1-benzotriazolyl(cyclohexyl)methyl]benzenecarbothioamide IUPAC Name: N-[(S)-benzotriazol-1-yl(cyclohexyl)methyl]benzenecarbothioamide Traditional Name: N-[(S)-benzotriazol-1-yl(cyclohexyl)methyl]thiobenzamide Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(NC(=S)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)[C@@H](NC(=S)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22N4S/c25-20(16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)22-23-24/h2,5-8,11-15,19H,1,3-4,9-10H2,(H,21,25)/t19-/m0/s1