4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[3-(diethylamino)propyl]piperidine-1-carbothioamide

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[3-(diethylamino)propyl]piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[3-(diethylamino)propyl]piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-[3-(diethylamino)propyl]-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[3-(diethylamino)propyl]piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[3-(diethylamino)propyl]piperidine-1-carbothioamide Formula: C23H34N8S MolecularWeight: 454.63466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=S)N1CCC(CC1)C2=NC=CN2CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCN(CC)CCCNC(=S)N1CCC(CC1)C2=NC=CN2CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H34N8S/c1-3-28(4-2)14-7-12-25-23(32)29-15-10-19(11-16-29)22-24-13-17-30(22)18-31-21-9-6-5-8-20(21)26-27-31/h5-6,8-9,13,17,19H,3-4,7,10-12,14-16,18H2,1-2H3,(H,25,32)