1-[2-(benzotriazol-1-yl)ethanoylamino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H22N6OS/c1-11-6-2-3-7-12(11)17-16(24)20-19-15(23)10-22-14-9-5-4-8-13(14)18-21-22/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,19,23)(H2,17,20,24)/t11-,12-/m1/s1