2-[(3-chloranyl-4-methoxy-phenyl)carbonylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)carbonylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-chloro-4-methoxy-benzoyl)amino]-N-(2-furylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-chloro-4-methoxybenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-chloro-4-methoxy-benzoyl)amino]-N-(2-furfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-28-17-9-8-13(11-16(17)23)20(26)25-22-19(15-6-2-3-7-18(15)30-22)21(27)24-12-14-5-4-10-29-14/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,24,27)(H,25,26)