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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCN)C(=S)C1=CC(=C(C=C1)N)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CCN)C(=S)C1=CC(=C(C=C1)N)OC

InChI

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