N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]benzenecarbothioamide

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]benzenecarbothioamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]benzenecarbothioamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)-2-methylpropyl]benzenecarbothioamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methylpropyl]benzenecarbothioamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]thiobenzamide Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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