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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-propyl-thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-propyl-thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-propylthiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-propylthiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-propyl-thiourea Formula: C12H16N6OS MolecularWeight: 292.36004

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

CCCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H16N6OS/c1-2-7-13-12(20)16-15-11(19)8-18-10-6-4-3-5-9(10)14-17-18/h3-6H,2,7-8H2,1H3,(H,15,19)(H2,13,16,20)