2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]-N-prop-2-enyl-cyclopentene-1-carbothioamide

Systemtic Name: 2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]-N-prop-2-enyl-cyclopentene-1-carbothioamide Openeye Name: N-allyl-2-morpholino-3-[(3-nitrophenyl)methylene]cyclopentene-1-carbothioamide CAS Name: 2-(4-morpholinyl)-3-[(3-nitrophenyl)methylidene]-N-prop-2-enyl-1-cyclopentenecarbothioamide IUPAC Name: 2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]-N-prop-2-enylcyclopentene-1-carbothioamide Traditional Name: N-allyl-2-morpholino-3-(3-nitrobenzylidene)cyclopentene-1-carbothioamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C1=C(C(=CC2=CC(=CC=C2)[N+](=O)[O-])CC1)N3CCOCC3

Isomeric SMILES

C=CCNC(=S)C1=C(C(=CC2=CC(=CC=C2)[N+](=O)[O-])CC1)N3CCOCC3

InChI

InChI=1S/C20H23N3O3S/c1-2-8-21-20(27)18-7-6-16(19(18)22-9-11-26-12-10-22)13-15-4-3-5-17(14-15)23(24)25/h2-5,13-14H,1,6-12H2,(H,21,27)