3-cyclohexyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea

Systemtic Name: 3-cyclohexyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea Openeye Name: 3-cyclohexyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea CAS Name: 3-cyclohexyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea IUPAC Name: 3-cyclohexyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea Traditional Name: 3-cyclohexyl-1-phenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N(C2=CC=CC=C2)C3=NCCCCS3

Isomeric SMILES

C1CCC(CC1)NC(=O)N(C2=CC=CC=C2)C3=NCCCCS3

InChI

InChI=1S/C18H25N3OS/c22-17(20-15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)18-19-13-7-8-14-23-18/h2,5-6,11-12,15H,1,3-4,7-10,13-14H2,(H,20,22)