1-[1,3-bis(oxidanylidene)-4-prop-2-enyl-4H-isoquinolin-7-yl]-3-methyl-thiourea

Systemtic Name: 1-[1,3-bis(oxidanylidene)-4-prop-2-enyl-4H-isoquinolin-7-yl]-3-methyl-thiourea Openeye Name: 1-(4-allyl-1,3-dioxo-4H-isoquinolin-7-yl)-3-methyl-thiourea CAS Name: 1-(1,3-dioxo-4-prop-2-enyl-4H-isoquinolin-7-yl)-3-methylthiourea IUPAC Name: 1-(1,3-dioxo-4-prop-2-enyl-4H-isoquinolin-7-yl)-3-methylthiourea Traditional Name: 1-(4-allyl-1,3-diketo-4H-isoquinolin-7-yl)-3-methyl-thiourea Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC2=C(C=C1)C(C(=O)NC2=O)CC=C

Isomeric SMILES

CNC(=S)NC1=CC2=C(C=C1)C(C(=O)NC2=O)CC=C

InChI

InChI=1S/C14H15N3O2S/c1-3-4-10-9-6-5-8(16-14(20)15-2)7-11(9)13(19)17-12(10)18/h3,5-7,10H,1,4H2,2H3,(H2,15,16,20)(H,17,18,19)