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

Systemtic Name: 1-[4-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]-3-methyl-thiourea Openeye Name: 1-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]-3-methyl-thiourea CAS Name: 1-[4-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]-3-methylthiourea IUPAC Name: 1-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]-3-methylthiourea Traditional Name: 1-[4-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]phenyl]-3-methyl-thiourea Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3OS/c1-13-12-19(26-20(13)21(27)16-4-8-17(23)9-5-16)14(2)15-6-10-18(11-7-15)25-22(28)24-3/h4-12,14,26H,1-3H3,(H2,24,25,28)