N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[2-(4-butoxyanilino)-2-oxoethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C31H31N3O3S2 MolecularWeight: 557.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C31H31N3O3S2/c1-2-3-19-37-24-17-15-22(16-18-24)32-30(35)21-38-25-10-8-9-23(20-25)33-31(36)34-26-11-4-6-13-28(26)39-29-14-7-5-12-27(29)34/h4-18,20,26,28H,2-3,19,21H2,1H3,(H,32,35)(H,33,36)