N-(4-butylphenyl)-6-chloranyl-2,2-bis(oxidanylidene)-4-phenyl-1-prop-2-enyl-2$l^{6},1-benzothiazine-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-6-chloranyl-2,2-bis(oxidanylidene)-4-phenyl-1-prop-2-enyl-2$l^{6},1-benzothiazine-3-carboxamide Openeye Name: 1-allyl-N-(4-butylphenyl)-6-chloro-2,2-dioxo-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide CAS Name: N-(4-butylphenyl)-6-chloro-2,2-dioxo-4-phenyl-1-prop-2-enyl-2$l^{6},1-benzothiazine-3-carboxamide IUPAC Name: N-(4-butylphenyl)-6-chloro-2,2-dioxo-4-phenyl-1-prop-2-enyl-2$l^{6},1-benzothiazine-3-carboxamide Traditional Name: 1-allyl-N-(4-butylphenyl)-6-chloro-2,2-diketo-4-phenyl-2$l^{6},1-benzothiazine-3-carboxamide Formula: C28H27ClN2O3S MolecularWeight: 507.04358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(C=CC(=C3)Cl)N(S2(=O)=O)CC=C)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C3=C(C=CC(=C3)Cl)N(S2(=O)=O)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C28H27ClN2O3S/c1-3-5-9-20-12-15-23(16-13-20)30-28(32)27-26(21-10-7-6-8-11-21)24-19-22(29)14-17-25(24)31(18-4-2)35(27,33)34/h4,6-8,10-17,19H,2-3,5,9,18H2,1H3,(H,30,32)