N-[9-[(3-methylsulfanylphenyl)amino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-yl-propanamide

Systemtic Name: N-[9-[(3-methylsulfanylphenyl)amino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-yl-propanamide Openeye Name: N-[9-(3-methylsulfanylanilino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-yl-propanamide CAS Name: N-[9-[3-(methylthio)anilino]-6-[[1-oxo-3-(1-pyrrolidinyl)propyl]amino]-3-acridinyl]-3-(1-pyrrolidinyl)propanamide IUPAC Name: N-[9-(3-methylsulfanylanilino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide Traditional Name: N-[9-[3-(methylthio)anilino]-6-(3-pyrrolidinopropanoylamino)acridin-3-yl]-3-pyrrolidino-propionamide Formula: C34H40N6O2S MolecularWeight: 596.7854

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6

InChI

InChI=1S/C34H40N6O2S/c1-43-27-8-6-7-24(21-27)37-34-28-11-9-25(35-32(41)13-19-39-15-2-3-16-39)22-30(28)38-31-23-26(10-12-29(31)34)36-33(42)14-20-40-17-4-5-18-40/h6-12,21-23H,2-5,13-20H2,1H3,(H,35,41)(H,36,42)(H,37,38)