1-[2-(benzotriazol-1-yl)ethanoylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-isopropyl-thiourea Formula: C12H16N6OS MolecularWeight: 292.36004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)NC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H16N6OS/c1-8(2)13-12(20)16-15-11(19)7-18-10-6-4-3-5-9(10)14-17-18/h3-6,8H,7H2,1-2H3,(H,15,19)(H2,13,16,20)