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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(2-dimethylaminoethyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-dimethylaminoethyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-dimethylaminoethyl)thiourea Formula: C13H19N7OS MolecularWeight: 321.40126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

CN(C)CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C13H19N7OS/c1-19(2)8-7-14-13(22)17-16-12(21)9-20-11-6-4-3-5-10(11)15-18-20/h3-6H,7-9H2,1-2H3,(H,16,21)(H2,14,17,22)