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

Systemtic Name: 1-(6-chloranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(6-chloro-2,2-dimethyl-chroman-4-yl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(6-chloro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(6-chloro-2,2-dimethyl-chroman-4-yl)-3-(3-nitrophenyl)thiourea Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)Cl)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)Cl)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18ClN3O3S/c1-18(2)10-15(14-8-11(19)6-7-16(14)25-18)21-17(26)20-12-4-3-5-13(9-12)22(23)24/h3-9,15H,10H2,1-2H3,(H2,20,21,26)