1-[(E)-[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-phenyl-thiourea Formula: C21H21IN4S MolecularWeight: 488.38771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)/C=N/NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H21IN4S/c1-14-11-19(9-10-20(14)22)26-15(2)12-17(16(26)3)13-23-25-21(27)24-18-7-5-4-6-8-18/h4-13H,1-3H3,(H2,24,25,27)/b23-13+