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

Systemtic Name: 1-[6-[1-[5-(4-chlorophenyl)carbonyl-4-methyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-3-methyl-thiourea Openeye Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridyl]-3-methyl-thiourea CAS Name: 1-[6-[1-[5-[(4-chlorophenyl)-oxomethyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridinyl]-3-methylthiourea IUPAC Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]pyridin-3-yl]-3-methylthiourea Traditional Name: 1-[6-[1-[5-(4-chlorobenzoyl)-4-methyl-1H-pyrrol-2-yl]ethyl]-3-pyridyl]-3-methyl-thiourea Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4OS/c1-12-10-18(26-19(12)20(27)14-4-6-15(22)7-5-14)13(2)17-9-8-16(11-24-17)25-21(28)23-3/h4-11,13,26H,1-3H3,(H2,23,25,28)