3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea

Systemtic Name: 3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea Openeye Name: 3-phenyl-1-(4-phenylthiazol-2-yl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea CAS Name: 3-phenyl-1-(4-phenyl-2-thiazolyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea IUPAC Name: 3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea Traditional Name: 3-phenyl-1-(4-phenylthiazol-2-yl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N(C2=NC(=CS2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)N(C2=NC(=CS2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c27-21(24-18-12-6-2-7-13-18)26(20-14-8-3-9-15-23-20)22-25-19(16-28-22)17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,24,27)