[1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-iodanylbenzoate

Systemtic Name: [1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-iodanylbenzoate Openeye Name: 1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl 2-iodobenzoate CAS Name: 2-iodobenzoic acid [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid 1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl ester Formula: C25H21IN2O3S MolecularWeight: 556.41531

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OC(=O)C4=CC=CC=C4I

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C25H21IN2O3S/c1-3-21(31-25(30)18-6-4-5-7-19(18)26)23(29)27-17-11-9-16(10-12-17)24-28-20-13-8-15(2)14-22(20)32-24/h4-14,21H,3H2,1-2H3,(H,27,29)