1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-p-cumenyl-thiourea Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H20N6OS/c1-12(2)13-7-9-14(10-8-13)19-18(26)22-21-17(25)11-24-16-6-4-3-5-15(16)20-23-24/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,19,22,26)