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

Systemtic Name: 1-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-(2-methoxyethyl)thiourea CAS Name: 1-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-(2-methoxyethyl)thiourea Formula: C17H21IN4OS MolecularWeight: 456.34431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=S)NCCOC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=S)NCCOC

InChI

InChI=1S/C17H21IN4OS/c1-12-10-14(11-20-21-17(24)19-8-9-23-3)13(2)22(12)16-6-4-15(18)5-7-16/h4-7,10-11H,8-9H2,1-3H3,(H2,19,21,24)