N-cyclopropyl-2-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-4-methoxy-benzamide

Systemtic Name: N-cyclopropyl-2-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-4-methoxy-benzamide Openeye Name: N-cyclopropyl-2-[[1-(1,4-dithiepan-6-yl)-4-piperidyl]oxy]-4-methoxy-benzamide CAS Name: N-cyclopropyl-2-[[1-(1,4-dithiepan-6-yl)-4-piperidinyl]oxy]-4-methoxybenzamide IUPAC Name: N-cyclopropyl-2-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-4-methoxybenzamide Traditional Name: N-cyclopropyl-2-[[1-(1,4-dithiepan-6-yl)-4-piperidyl]oxy]-4-methoxy-benzamide Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2CC2)OC3CCN(CC3)C4CSCCSC4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2CC2)OC3CCN(CC3)C4CSCCSC4

InChI

InChI=1S/C21H30N2O3S2/c1-25-18-4-5-19(21(24)22-15-2-3-15)20(12-18)26-17-6-8-23(9-7-17)16-13-27-10-11-28-14-16/h4-5,12,15-17H,2-3,6-11,13-14H2,1H3,(H,22,24)