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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-(4-methoxyphenyl)thiourea Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N5O2S/c1-25(2)12-13-26(21(29)22-15-8-10-16(28-3)11-9-15)14-19-23-18-7-5-4-6-17(18)20(27)24-19/h4-11H,12-14H2,1-3H3,(H,22,29)(H,23,24,27)