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

Systemtic Name: 1-[6-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-3-phenyl-thiourea Openeye Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridyl]-3-phenyl-thiourea CAS Name: 1-[6-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridinyl]-3-phenylthiourea IUPAC Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-3-phenylthiourea Traditional Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridyl]-3-phenyl-thiourea Formula: C26H23ClN4OS MolecularWeight: 475.00502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(C)C2=NC=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(NC(=C1)C(C)C2=NC=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN4OS/c1-16-14-23(31-24(16)25(32)18-8-10-19(27)11-9-18)17(2)22-13-12-21(15-28-22)30-26(33)29-20-6-4-3-5-7-20/h3-15,17,31H,1-2H3,(H2,29,30,33)