1-phenyl-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea

Systemtic Name: 1-phenyl-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea Openeye Name: 1-phenyl-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea CAS Name: 1-phenyl-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea IUPAC Name: 1-phenyl-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea Traditional Name: 1-phenyl-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)thiourea Formula: C12H17N5S MolecularWeight: 263.36188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1CCN=C(NC1)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C12H17N5S/c18-12(15-10-6-2-1-3-7-10)17-16-11-13-8-4-5-9-14-11/h1-3,6-7H,4-5,8-9H2,(H2,13,14,16)(H2,15,17,18)