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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethylphenyl)thiourea Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C17H18N6OS/c1-11-7-8-13(9-12(11)2)18-17(25)21-20-16(24)10-23-15-6-4-3-5-14(15)19-22-23/h3-9H,10H2,1-2H3,(H,20,24)(H2,18,21,25)