1-(3-imidazol-1-ylpropyl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-allyl-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-allyl-1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C16H21N5S MolecularWeight: 315.43644

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N(CCCN1C=CN=C1)CC2=CC=NC=C2

Isomeric SMILES

C=CCNC(=S)N(CCCN1C=CN=C1)CC2=CC=NC=C2

InChI

InChI=1S/C16H21N5S/c1-2-6-19-16(22)21(13-15-4-7-17-8-5-15)11-3-10-20-12-9-18-14-20/h2,4-5,7-9,12,14H,1,3,6,10-11,13H2,(H,19,22)