4-methoxy-N-[2-(4-nitrophenyl)ethyl]-3-pentyl-benzenecarbothioamide

Systemtic Name: 4-methoxy-N-[2-(4-nitrophenyl)ethyl]-3-pentyl-benzenecarbothioamide Openeye Name: 4-methoxy-N-[2-(4-nitrophenyl)ethyl]-3-pentyl-benzenecarbothioamide CAS Name: 4-methoxy-N-[2-(4-nitrophenyl)ethyl]-3-pentylbenzenecarbothioamide IUPAC Name: 4-methoxy-N-[2-(4-nitrophenyl)ethyl]-3-pentylbenzenecarbothioamide Traditional Name: 3-amyl-4-methoxy-N-[2-(4-nitrophenyl)ethyl]thiobenzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C(=S)NCCC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C(=S)NCCC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N2O3S/c1-3-4-5-6-17-15-18(9-12-20(17)26-2)21(27)22-14-13-16-7-10-19(11-8-16)23(24)25/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,27)