1-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea

Systemtic Name: 1-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Openeye Name: [(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea CAS Name: [(E)-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea IUPAC Name: [(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]thiourea Traditional Name: [(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]thiourea Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H22N4O2S/c1-12-17-15(22-23-20(21)27)7-4-8-16(17)26-18(12)19(25)24-10-9-13-5-2-3-6-14(13)11-24/h2-3,5-6H,4,7-11H2,1H3,(H3,21,23,27)/b22-15+