2-(3-methoxyphenyl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxidanylidene-propyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxidanylidene-propyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-propyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 1-keto-N-[3-keto-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-(3-methoxyphenyl)isoquinoline-4-carboxamide Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H21N5O4S/c1-14-26-27-23(33-14)25-20(29)10-11-24-21(30)19-13-28(15-6-5-7-16(12-15)32-2)22(31)18-9-4-3-8-17(18)19/h3-9,12-13H,10-11H2,1-2H3,(H,24,30)(H,25,27,29)