1-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]-3-p-cumenyl-thiourea Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N4O3S/c1-13(2)14-7-9-16(10-8-14)22-21(29)24-23-18(26)12-25-19(27)11-15-5-3-4-6-17(15)20(25)28/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H2,22,24,29)