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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-butylphenyl)thiourea Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H22N6OS/c1-2-3-6-14-9-11-15(12-10-14)20-19(27)23-22-18(26)13-25-17-8-5-4-7-16(17)21-24-25/h4-5,7-12H,2-3,6,13H2,1H3,(H,22,26)(H2,20,23,27)