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

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxoethyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[[2-(1,3-diketo-4H-isoquinolin-2-yl)acetyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)CN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C17H22N4O4S/c1-20(17(26)18-8-5-9-25-2)19-14(22)11-21-15(23)10-12-6-3-4-7-13(12)16(21)24/h3-4,6-7H,5,8-11H2,1-2H3,(H,18,26)(H,19,22)