4-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)amino]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[[2-morpholino-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide CAS Name: 4-[[2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-[[2-morpholino-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-14(2)22-20(25)15-5-6-16(17(12-15)24(26)27)21-13-18(19-4-3-11-29-19)23-7-9-28-10-8-23/h3-6,11-12,14,18,21H,7-10,13H2,1-2H3,(H,22,25)