1-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-3-(4-chlorophenyl)urea Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1NC(=O)NC2=CC=C(C=C2)Cl)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)C(=C(N1NC(=O)NC2=CC=C(C=C2)Cl)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14ClN5O2S/c19-10-5-7-11(8-6-10)21-18(26)23-24-9-13(25)15(16(24)20)17-22-12-3-1-2-4-14(12)27-17/h1-8H,9,20H2,(H2,21,23,26)