N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-4-(1-benzotriazolylmethyl)benzamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H26N6OS/c31-23(26-24-25-20(17-32-24)16-29-13-5-1-2-6-14-29)19-11-9-18(10-12-19)15-30-22-8-4-3-7-21(22)27-28-30/h3-4,7-12,17H,1-2,5-6,13-16H2,(H,25,26,31)