N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-phenyldiazenyl-benzamide hydrochloride

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-phenyldiazenyl-benzamide hydrochloride Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-phenylazo-benzamide hydrochloride CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-4-phenyldiazenylbenzamide hydrochloride IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-phenyldiazenylbenzamide hydrochloride Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-4-phenylazo-benzamide hydrochloride Formula: C28H31ClN6OS MolecularWeight: 535.10334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3)C4=NSC5=CC=CC=C54.Cl

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC=C(C=C2)N=NC3=CC=CC=C3)C4=NSC5=CC=CC=C54.Cl

InChI

InChI=1S/C28H30N6OS.ClH/c35-28(22-12-14-24(15-13-22)31-30-23-8-2-1-3-9-23)29-16-6-7-17-33-18-20-34(21-19-33)27-25-10-4-5-11-26(25)36-32-27;/h1-5,8-15H,6-7,16-21H2,(H,29,35);1H