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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-[3-(dimethylamino)propyl]thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[3-(dimethylamino)propyl]thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-[3-(dimethylamino)propyl]thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[3-(dimethylamino)propyl]thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[3-(dimethylamino)propyl]thiourea Formula: C14H21N7OS MolecularWeight: 335.42784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N7OS/c1-20(2)9-5-8-15-14(23)18-17-13(22)10-21-12-7-4-3-6-11(12)16-19-21/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,22)(H2,15,18,23)