1-(4-chlorophenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(4-chlorophenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(4-chlorophenyl)-3-(5-phenyl-2-thioxo-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(4-chlorophenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(4-chlorophenyl)-3-(5-phenyl-2-sulfanylidene-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(4-chlorophenyl)-3-(5-phenyl-2-thioxo-1,4-benzodiazepin-3-yl)urea Formula: C22H15ClN4OS MolecularWeight: 418.8987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=S)C(=N2)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=S)C(=N2)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN4OS/c23-15-10-12-16(13-11-15)24-22(28)27-20-21(29)25-18-9-5-4-8-17(18)19(26-20)14-6-2-1-3-7-14/h1-13H,(H2,24,25,26,27,28,29)