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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H16N6O2S/c1-24-12-8-6-11(7-9-12)17-16(25)20-19-15(23)10-22-14-5-3-2-4-13(14)18-21-22/h2-9H,10H2,1H3,(H,19,23)(H2,17,20,25)