1-[6-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-3-ethyl-thiourea

Systemtic Name: 1-[6-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-3-ethyl-thiourea Openeye Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridyl]-3-ethyl-thiourea CAS Name: 1-[6-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridinyl]-3-ethylthiourea IUPAC Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-3-ethylthiourea Traditional Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridyl]-3-ethyl-thiourea Formula: C22H23ClN4OS MolecularWeight: 426.96222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CN=C(C=C1)C(C)C2=CC(=C(N2)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCNC(=S)NC1=CN=C(C=C1)C(C)C2=CC(=C(N2)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN4OS/c1-4-24-22(29)26-17-9-10-18(25-12-17)14(3)19-11-13(2)20(27-19)21(28)15-5-7-16(23)8-6-15/h5-12,14,27H,4H2,1-3H3,(H2,24,26,29)