1-(6-ethanoyl-4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(6-ethanoyl-4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(6-acetyl-4,4-dimethyl-chroman-8-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(6-acetyl-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(6-acetyl-4,4-dimethyl-2,3-dihydrochromen-8-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(6-acetyl-4,4-dimethyl-chroman-8-yl)-3-(4-nitrophenyl)thiourea Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C(=C1)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])OCCC2(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C(=C1)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])OCCC2(C)C

InChI

InChI=1S/C20H21N3O4S/c1-12(24)13-10-16-18(27-9-8-20(16,2)3)17(11-13)22-19(28)21-14-4-6-15(7-5-14)23(25)26/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,28)