1-(2,6-diethylphenyl)-3-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-indolin-3-ylidene]amino]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-3-indolylidene]amino]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxoindol-3-ylidene]amino]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-keto-indolin-3-ylidene]amino]thiourea Formula: C29H31N5OS MolecularWeight: 497.65434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H31N5OS/c1-3-20-12-9-13-21(4-2)26(20)30-29(36)32-31-27-24-14-7-8-15-25(24)34(28(27)35)19-33-17-16-22-10-5-6-11-23(22)18-33/h5-15H,3-4,16-19H2,1-2H3,(H2,30,32,36)