2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[4-[(2-dimethylaminoethylamino)-oxomethyl]-9-acridinyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-mercapto-propionic acid Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CS)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CS)C(=O)O

InChI

InChI=1S/C21H24N4O3S/c1-25(2)11-10-22-20(26)15-8-5-7-14-18(24-17(12-29)21(27)28)13-6-3-4-9-16(13)23-19(14)15/h3-9,17,29H,10-12H2,1-2H3,(H,22,26)(H,23,24)(H,27,28)