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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-butyl-thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-butyl-thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-butylthiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-butylthiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-butyl-thiourea Formula: C13H18N6OS MolecularWeight: 306.38662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6OS/c1-2-3-8-14-13(21)17-16-12(20)9-19-11-7-5-4-6-10(11)15-18-19/h4-7H,2-3,8-9H2,1H3,(H,16,20)(H2,14,17,21)