N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-chloranyl-5-ethyl-2-methoxy-6-oxidanyl-benzamide

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-chloranyl-5-ethyl-2-methoxy-6-oxidanyl-benzamide Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-chloro-3-ethyl-2-hydroxy-6-methoxy-benzamide CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-5-chloro-3-ethyl-2-hydroxy-6-methoxybenzamide IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-5-chloro-3-ethyl-2-hydroxy-6-methoxybenzamide Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-5-chloro-3-ethyl-2-hydroxy-6-methoxy-benzamide Formula: C25H31ClN4O3S MolecularWeight: 503.05664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1O)C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43)OC)Cl

Isomeric SMILES

CCC1=CC(=C(C(=C1O)C(=O)NCCCCN2CCN(CC2)C3=NSC4=CC=CC=C43)OC)Cl

InChI

InChI=1S/C25H31ClN4O3S/c1-3-17-16-19(26)23(33-2)21(22(17)31)25(32)27-10-6-7-11-29-12-14-30(15-13-29)24-18-8-4-5-9-20(18)34-28-24/h4-5,8-9,16,31H,3,6-7,10-15H2,1-2H3,(H,27,32)