N-[3-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(6-chlorothiochroman-4-yl)carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(6-chlorothiochroman-4-yl)carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H17ClN2O2S2 MolecularWeight: 428.95488

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)C=C(C=C2)Cl

InChI

InChI=1S/C21H17ClN2O2S2/c22-14-6-7-18-16(12-14)17(8-10-28-18)24-20(25)13-3-1-4-15(11-13)23-21(26)19-5-2-9-27-19/h1-7,9,11-12,17H,8,10H2,(H,23,26)(H,24,25)