2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[3-(cyclopropylcarbamoyl)phenyl]nicotinamide Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N4O5S/c30-22(27-18-8-9-20-21(12-18)34-14-33-20)13-35-25-19(5-2-10-26-25)24(32)29-17-4-1-3-15(11-17)23(31)28-16-6-7-16/h1-5,8-12,16H,6-7,13-14H2,(H,27,30)(H,28,31)(H,29,32)