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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6OS/c24-16(12-23-15-9-5-4-8-14(15)19-22-23)20-21-17(25)18-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,24)(H2,18,21,25)