tert-butyl N-[4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methyl-phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methyl-phenyl]carbamate Openeye Name: tert-butyl N-[4-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methyl-phenyl]carbamate CAS Name: N-[4-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-3-methoxy-5-methylphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methylphenyl]carbamate Traditional Name: N-[4-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-3-methoxy-5-methyl-phenyl]carbamic acid tert-butyl ester Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H37N3O4S/c1-20-18-21(29-27(32)35-28(2,3)4)19-24(33-5)26(20)34-16-7-11-30-12-14-31(15-13-30)23-8-6-9-25-22(23)10-17-36-25/h6,8-10,17-19H,7,11-16H2,1-5H3,(H,29,32)