1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C18H18Cl2N2O2S MolecularWeight: 397.31872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H18Cl2N2O2S/c1-11-13(19)4-2-5-15(11)22-18(25)21-10-12-8-14(20)17-16(9-12)23-6-3-7-24-17/h2,4-5,8-9H,3,6-7,10H2,1H3,(H2,21,22,25)