4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-14-2-5-16(12-18(14)24(26)27)19(25)22-20(29)21-17-6-3-15(4-7-17)13-23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H2,21,22,25,29)