2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-2-4-13-7-9-16-17(12-13)29-21(19(16)20(22)26)23-18(25)10-8-14-5-3-6-15(11-14)24(27)28/h3,5-6,8,10-11,13H,2,4,7,9,12H2,1H3,(H2,22,26)(H,23,25)/b10-8+