4-(ethylamino)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitro-benzamide

Systemtic Name: 4-(ethylamino)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitro-benzamide Openeye Name: 4-(ethylamino)-N-[(E)-(5-morpholino-2-thienyl)methyleneamino]-3-nitro-benzamide CAS Name: 4-(ethylamino)-N-[(E)-[5-(4-morpholinyl)-2-thiophenyl]methylideneamino]-3-nitrobenzamide IUPAC Name: 4-(ethylamino)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-3-nitrobenzamide Traditional Name: 4-(ethylamino)-N-[(E)-(5-morpholino-2-thienyl)methyleneamino]-3-nitro-benzamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NN=CC2=CC=C(S2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=C(S2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c1-2-19-15-5-3-13(11-16(15)23(25)26)18(24)21-20-12-14-4-6-17(28-14)22-7-9-27-10-8-22/h3-6,11-12,19H,2,7-10H2,1H3,(H,21,24)/b20-12+