1-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-3-indolylidene]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxoindol-3-ylidene]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-keto-indolin-3-ylidene]amino]-3-(o-tolyl)thiourea Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H25N5OS/c1-18-8-2-6-12-22(18)27-26(33)29-28-24-21-11-5-7-13-23(21)31(25(24)32)17-30-15-14-19-9-3-4-10-20(19)16-30/h2-13H,14-17H2,1H3,(H2,27,29,33)