4-[bis(2-methylpropyl)sulfamoyl]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(diisobutylsulfamoyl)benzamide CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(diisobutylsulfamoyl)benzamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C25H30N4O5S2/c1-6-13-28-22-12-9-20(29(31)32)14-23(22)35-25(28)26-24(30)19-7-10-21(11-8-19)36(33,34)27(15-17(2)3)16-18(4)5/h6-12,14,17-18H,1,13,15-16H2,2-5H3