1-butyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-butyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-butyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-butyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-prop-2-enylthiourea IUPAC Name: 1-butyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-butyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC=C

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCC=C

InChI

InChI=1S/C17H22N4OS/c1-3-5-11-21(17(23)18-10-4-2)12-15-19-14-9-7-6-8-13(14)16(22)20-15/h4,6-9H,2-3,5,10-12H2,1H3,(H,18,23)(H,19,20,22)