N-[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide

Systemtic Name: N-[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Openeye Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide CAS Name: N-[3-[[1-(4-butoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide IUPAC Name: N-[3-[1-(4-butoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Traditional Name: N-[3-[1-[(4-butoxyphenyl)carbamoyl]propylthio]phenyl]-4a,10a-dihydrophenothiazine-10-carboxamide Formula: C33H35N3O3S2 MolecularWeight: 585.7793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C33H35N3O3S2/c1-3-5-21-39-25-19-17-23(18-20-25)34-32(37)29(4-2)40-26-12-10-11-24(22-26)35-33(38)36-27-13-6-8-15-30(27)41-31-16-9-7-14-28(31)36/h6-20,22,27,29-30H,3-5,21H2,1-2H3,(H,34,37)(H,35,38)