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

Systemtic Name: 1-butyl-3-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea Formula: C18H23IN4S MolecularWeight: 454.37149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)I)C

Isomeric SMILES

CCCCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)I)C

InChI

InChI=1S/C18H23IN4S/c1-4-5-10-20-18(24)22-21-12-15-11-13(2)23(14(15)3)17-8-6-16(19)7-9-17/h6-9,11-12H,4-5,10H2,1-3H3,(H2,20,22,24)