8-chloranyl-4-(4-chlorophenyl)sulfanyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 8-chloranyl-4-(4-chlorophenyl)sulfanyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-chloro-4-(4-chlorophenyl)sulfanyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-chloro-4-[(4-chlorophenyl)thio]-6-phenylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-chloro-4-(4-chlorophenyl)sulfanyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-chloro-4-[(4-chlorophenyl)thio]-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Formula: C23H13Cl2N3S2 MolecularWeight: 466.40542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=C(C=C4)Cl)SC5=C2C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=C(C=C4)Cl)SC5=C2C=C(C=C5)Cl

InChI

InChI=1S/C23H13Cl2N3S2/c24-15-6-9-17(10-7-15)29-22-21-23(27-13-26-22)30-19-11-8-16(25)12-18(19)20(28-21)14-4-2-1-3-5-14/h1-13H