1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-2-[(phenylmethyl)amino]-10H-acridin-3-one

Systemtic Name: 1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-2-[(phenylmethyl)amino]-10H-acridin-3-one Openeye Name: 1-[(2R)-2-amino-3-sulfanyl-propanoyl]-2-(benzylamino)-10H-acridin-3-one CAS Name: 1-[(2R)-2-amino-3-mercapto-1-oxopropyl]-2-[(phenylmethyl)amino]-10H-acridin-3-one IUPAC Name: 1-[(2R)-2-amino-3-sulfanylpropanoyl]-2-(benzylamino)-10H-acridin-3-one Traditional Name: 1-[(2R)-2-amino-3-mercapto-propanoyl]-2-(benzylamino)-10H-acridin-3-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C3=CC4=CC=CC=C4NC3=CC2=O)C(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C3=CC4=CC=CC=C4NC3=CC2=O)C(=O)[C@H](CS)N

InChI

InChI=1S/C23H21N3O2S/c24-17(13-29)23(28)21-16-10-15-8-4-5-9-18(15)26-19(16)11-20(27)22(21)25-12-14-6-2-1-3-7-14/h1-11,17,25-26,29H,12-13,24H2/t17-/m0/s1