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

Systemtic Name: 1-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxopropyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[3-(1,3-diketo-4H-isoquinolin-2-yl)propanoylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H24N4O4S/c1-21(18(27)19-9-5-11-26-2)20-15(23)8-10-22-16(24)12-13-6-3-4-7-14(13)17(22)25/h3-4,6-7H,5,8-12H2,1-2H3,(H,19,27)(H,20,23)