4-(2-azanylethylamino)-3-methoxy-N-[(E)-octadec-9-enyl]benzenecarbothioamide

Systemtic Name: 4-(2-azanylethylamino)-3-methoxy-N-[(E)-octadec-9-enyl]benzenecarbothioamide Openeye Name: 4-(2-aminoethylamino)-3-methoxy-N-[(E)-octadec-9-enyl]benzenecarbothioamide CAS Name: 4-(2-aminoethylamino)-3-methoxy-N-[(E)-octadec-9-enyl]benzenecarbothioamide IUPAC Name: 4-(2-aminoethylamino)-3-methoxy-N-[(E)-octadec-9-enyl]benzenecarbothioamide Traditional Name: 4-(2-aminoethylamino)-3-methoxy-N-[(E)-octadec-9-enyl]thiobenzamide Formula: C28H49N3OS MolecularWeight: 475.77316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=S)C1=CC(=C(C=C1)NCCN)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(=S)C1=CC(=C(C=C1)NCCN)OC

InChI

InChI=1S/C28H49N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-28(33)25-19-20-26(30-23-21-29)27(24-25)32-2/h10-11,19-20,24,30H,3-9,12-18,21-23,29H2,1-2H3,(H,31,33)/b11-10+