N-[5-[[4-(azepan-1-yl)-4-oxidanylidene-butanoyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-[[4-(azepan-1-yl)-4-oxidanylidene-butanoyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[5-[[4-(azepan-1-yl)-4-oxo-butanoyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[5-[[4-(1-azepanyl)-1,4-dioxobutyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[5-[[4-(azepan-1-yl)-4-oxobutanoyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[5-[[4-(azepan-1-yl)-4-keto-butanoyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC(=O)NC2=CC3=C(C=C2)SC(=N3)NC(=O)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC(=O)NC2=CC3=C(C=C2)SC(=N3)NC(=O)C4CCCCC4

InChI

InChI=1S/C24H32N4O3S/c29-21(12-13-22(30)28-14-6-1-2-7-15-28)25-18-10-11-20-19(16-18)26-24(32-20)27-23(31)17-8-4-3-5-9-17/h10-11,16-17H,1-9,12-15H2,(H,25,29)(H,26,27,31)