4-(1,3-dihydrobenzimidazol-2-ylidene)-3-(octadecylamino)-2-sulfanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-3-(octadecylamino)-2-sulfanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-3-(octadecylamino)-2-sulfanyl-cyclohexa-2,5-dien-1-one CAS Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-2-mercapto-3-(octadecylamino)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-3-(octadecylamino)-2-sulfanylcyclohexa-2,5-dien-1-one Traditional Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-2-mercapto-3-(stearylamino)cyclohexa-2,5-dien-1-one Formula: C31H47N3OS MolecularWeight: 509.78938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)C=CC1=C2NC3=CC=CC=C3N2)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C(=O)C=CC1=C2NC3=CC=CC=C3N2)S

InChI

InChI=1S/C31H47N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-32-29-25(22-23-28(35)30(29)36)31-33-26-20-17-18-21-27(26)34-31/h17-18,20-23,32-34,36H,2-16,19,24H2,1H3