N-[(1R)-1-(benzotriazol-1-yl)butyl]benzenecarbothioamide

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)butyl]benzenecarbothioamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)butyl]benzenecarbothioamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)butyl]benzenecarbothioamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)butyl]benzenecarbothioamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)butyl]thiobenzamide Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCC[C@H](NC(=S)C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H18N4S/c1-2-8-16(18-17(22)13-9-4-3-5-10-13)21-15-12-7-6-11-14(15)19-20-21/h3-7,9-12,16H,2,8H2,1H3,(H,18,22)/t16-/m1/s1