2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-allyl-2-[(4-chloro-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-chloro-3-nitrobenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-allyl-2-[(4-chloro-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O4S/c1-2-9-21-18(25)16-12-5-3-4-6-15(12)28-19(16)22-17(24)11-7-8-13(20)14(10-11)23(26)27/h2,7-8,10H,1,3-6,9H2,(H,21,25)(H,22,24)