4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-ylcarbonyl)-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-ylcarbonyl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl(oxo)methyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-N-phenyl-piperazine-1-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c26-21(20-16-17-8-4-1-2-7-11-19(17)28-20)24-12-14-25(15-13-24)22(27)23-18-9-5-3-6-10-18/h3,5-6,9-10,16H,1-2,4,7-8,11-15H2,(H,23,27)