N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

Systemtic Name: N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Openeye Name: N-[3-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide CAS Name: N-[3-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide IUPAC Name: N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Traditional Name: N-[3-[(2-amino-2-keto-ethyl)carbamoyl]phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC2=C1C(=C(S2)N3C=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)NCC(=O)N

Isomeric SMILES

C1CSCC2=C1C(=C(S2)N3C=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)NCC(=O)N

InChI

InChI=1S/C21H20N4O3S2/c22-17(26)11-23-19(27)13-4-3-5-14(10-13)24-20(28)18-15-6-9-29-12-16(15)30-21(18)25-7-1-2-8-25/h1-5,7-8,10H,6,9,11-12H2,(H2,22,26)(H,23,27)(H,24,28)