6-chloranyl-2-[(2-methylphenyl)methyl]-1,1-bis(oxidanylidene)-4-(phenylmethyl)-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-3-one

Systemtic Name: 6-chloranyl-2-[(2-methylphenyl)methyl]-1,1-bis(oxidanylidene)-4-(phenylmethyl)-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-3-one Openeye Name: 4-benzyl-6-chloro-2-(o-tolylmethyl)-1,1-dioxo-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-3-one CAS Name: 6-chloro-2-[(2-methylphenyl)methyl]-1,1-dioxo-4-(phenylmethyl)-8-(1-piperazinyl)-1$l^{6},2,4-benzothiadiazin-3-one IUPAC Name: 4-benzyl-6-chloro-2-[(2-methylphenyl)methyl]-1,1-dioxo-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-3-one Traditional Name: 4-benzyl-6-chloro-1,1-diketo-2-(2-methylbenzyl)-8-piperazino-1$l^{6},2,4-benzothiadiazin-3-one Formula: C26H27ClN4O3S MolecularWeight: 511.03558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)N(C3=CC(=CC(=C3S2(=O)=O)N4CCNCC4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)N(C3=CC(=CC(=C3S2(=O)=O)N4CCNCC4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C26H27ClN4O3S/c1-19-7-5-6-10-21(19)18-31-26(32)30(17-20-8-3-2-4-9-20)24-16-22(27)15-23(25(24)35(31,33)34)29-13-11-28-12-14-29/h2-10,15-16,28H,11-14,17-18H2,1H3