3-[2-[[4-[cyclohexyl-(phenylmethyl)amino]phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]propanamide

Systemtic Name: 3-[2-[[4-[cyclohexyl-(phenylmethyl)amino]phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]propanamide Openeye Name: 3-[2-[4-[benzyl(cyclohexyl)amino]phenyl]azothiazol-3-ium-3-yl]propanamide CAS Name: 3-[2-[4-[cyclohexyl-(phenylmethyl)amino]phenyl]azo-3-thiazol-3-iumyl]propanamide IUPAC Name: 3-[2-[[4-[benzyl(cyclohexyl)amino]phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]propanamide Traditional Name: 3-[2-[4-[benzyl(cyclohexyl)amino]phenyl]azothiazol-3-ium-3-yl]propionamide Formula: C25H30N5OS+ MolecularWeight: 448.6036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=[N+](C=CS4)CCC(=O)N

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=[N+](C=CS4)CCC(=O)N

InChI

InChI=1S/C25H29N5OS/c26-24(31)15-16-29-17-18-32-25(29)28-27-21-11-13-23(14-12-21)30(22-9-5-2-6-10-22)19-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,17-18,22H,2,5-6,9-10,15-16,19H2,(H-,26,31)/p+1