1-(2-dimethylaminoethyl)-3-(3,4-dimethylphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-(3,4-dimethylphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-(3,4-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-(3,4-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-(3,4-dimethylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-(3,4-dimethylphenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCN(C)C)CC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCN(C)C)CC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C22H27N5OS/c1-15-9-10-17(13-16(15)2)23-22(29)27(12-11-26(3)4)14-20-24-19-8-6-5-7-18(19)21(28)25-20/h5-10,13H,11-12,14H2,1-4H3,(H,23,29)(H,24,25,28)