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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-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]-1,4-diazepan-1-yl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-3,3-dimethylbutanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]-3,3-dimethyl-butyramide Formula: C28H39N5O3S MolecularWeight: 525.70596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H39N5O3S/c1-28(2,3)20-25(34)30-22-19-21(26(35)32-12-5-10-29-11-15-32)8-9-23(22)31-13-6-14-33(17-16-31)27(36)24-7-4-18-37-24/h4,7-9,18-19,29H,5-6,10-17,20H2,1-3H3,(H,30,34)