N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3,3-dimethyl-butanamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3,3-dimethylbutanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)piperazino]phenyl]-3,3-dimethyl-butyramide Formula: C27H37N5O3S MolecularWeight: 511.67938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H37N5O3S/c1-27(2,3)19-24(33)29-21-18-20(25(34)31-11-5-9-28-10-12-31)7-8-22(21)30-13-15-32(16-14-30)26(35)23-6-4-17-36-23/h4,6-8,17-18,28H,5,9-16,19H2,1-3H3,(H,29,33)