2-(4-aminophenyl)-1-[7-(4-methylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-(oxan-4-ylamino)ethanone

Systemtic Name: 2-(4-aminophenyl)-1-[7-(4-methylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-(oxan-4-ylamino)ethanone Openeye Name: 2-(4-aminophenyl)-1-[1,1-dioxo-7-(p-tolyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-(tetrahydropyran-4-ylamino)ethanone CAS Name: 2-(4-aminophenyl)-1-[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-(4-oxanylamino)ethanone IUPAC Name: 2-(4-aminophenyl)-1-[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-(oxan-4-ylamino)ethanone Traditional Name: 2-(4-aminophenyl)-1-[1,1-diketo-7-(p-tolyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-(tetrahydropyran-4-ylamino)ethanone Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)C(C4=CC=C(C=C4)N)NC5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)C(C4=CC=C(C=C4)N)NC5CCOCC5

InChI

InChI=1S/C30H32N2O4S/c1-20-2-4-21(5-3-20)23-8-11-28-25(18-23)19-24(14-17-37(28,34)35)30(33)29(22-6-9-26(31)10-7-22)32-27-12-15-36-16-13-27/h2-11,18-19,27,29,32H,12-17,31H2,1H3