2-(1,3-benzothiazol-2-ylamino)-4-(3-ethoxy-4-oxidanyl-phenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3-ethoxy-4-oxidanyl-phenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3-ethoxy-4-hydroxy-phenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3-ethoxy-4-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3-ethoxy-4-hydroxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-(3-ethoxy-4-hydroxy-phenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=N2)NC4=NC5=CC=CC=C5S4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=N2)NC4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C25H26N4O3S/c1-4-32-19-11-14(9-10-17(19)30)22-21-16(12-25(2,3)13-18(21)31)26-23(28-22)29-24-27-15-7-5-6-8-20(15)33-24/h5-11,22,30H,4,12-13H2,1-3H3,(H2,26,27,28,29)