1-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: 1-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]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=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21IN4S/c1-15-12-18(16(2)26(15)20-10-8-19(22)9-11-20)14-24-25-21(27)23-13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H2,23,25,27)